SCHEMBL13340941

SCHEMBL13340941

CCN1C(=O)COc2cc(C(C)C)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.46
SLC5A1 P13866 2/20 0.42
SLC5A2 P31639 2/20 0.42
ALOX12 P18054 1/20 0.42
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
HTT P42858 2/20 0.39
TSHR P16473 2/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
BRD4 O60885 2/20 0.38
CBX7 O95931 1/20 0.38
CDYL2 Q8N8U2 1/20 0.38
CDYL Q9Y232 1/20 0.38
CDY1; CDY1B Q9Y6F8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
THRB P10828 1/20 0.38
USP2 O75604 1/20 0.38
ATAD2 Q6PL18 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13340944 0.89 HTT (0.47) RORCSLC5A1SLC5A2ALOX12CHRM5
SCHEMBL22357739 0.89 HTT (0.48) SLC5A1SLC5A2ALOX12HTTTSHR
SCHEMBL13341037 0.85 TSHR (0.43) ALOX12CHRM5CHRM1CHRM3TSHR
SCHEMBL13340994 0.85 CRHR1 (0.43) ALOX12CHRM5CHRM1CHRM3HTT
SCHEMBL13340987 0.84 NPY5R (0.42) SLC5A1SLC5A2ALOX12CHRM5CHRM1
SCHEMBL20116324 0.81 SLC5A1 (0.52) RORCSLC5A1SLC5A2CHRM5CHRM1
SCHEMBL30336383 0.81 SLC5A1 (0.52) RORCSLC5A1SLC5A2CHRM5CHRM1
SCHEMBL16601596 0.81 TSHR (0.55) RORCSLC5A1SLC5A2HTTTSHR
SCHEMBL13340815 0.81 CYP11B2 (0.51)
SCHEMBL24987952 0.80 PTGS1 (0.41) ALOX12HTTTSHRMAPTPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 US disclosed
US-8993585-B2 Cyclic amine substituted pyrimidinediamines as PKC inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. 2010-05-27 US disclosed
US-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. 2010-05-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 RORC 1361/4885SLC5A1 2468/4885SLC5A2 2321/4885
US-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS PRKCH, PKD2, PRKCQ RORC 3216/4885SLC5A1 2545/4885SLC5A2 2941/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 RORC 1361/4885SLC5A1 2468/4885SLC5A2 2321/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.